2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine

C12H13N3S — CID 51371047

IUPAC2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C12H13N3S/c1-2-8-15(7-1)12-13-6-5-10(14-12)11-4-3-9-16-11/h3-6,9H,1-2,7-8H2
InChIKeyFVPQMPVFOHTJCD-UHFFFAOYSA-N
MW231.32 g/mol
LogP2.81
Rot. Bonds2

About 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine

2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine (PubChem CID 51371047) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
PubChem CID51371047
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine
SMILESc1csc(-c2ccnc(N3CCCC3)n2)c1
InChIInChI=1S/C12H13N3S/c1-2-8-15(7-1)12-13-6-5-10(14-12)11-4-3-9-16-11/h3-6,9H,1-2,7-8H2
InChIKeyFVPQMPVFOHTJCD-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine?
The IUPAC name of 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine (CID 51371047) is 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine is c1csc(-c2ccnc(N3CCCC3)n2)c1.
What is the InChIKey of 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine?
The InChIKey is FVPQMPVFOHTJCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-2-8-15(7-1)12-13-6-5-10(14-12)11-4-3-9-16-11/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine?
2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine has a molecular weight of 231.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-1-yl-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 51371047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).